Structure of PDB 7w30 Chain D Binding Site BS01

Receptor Information
>7w30 Chain D (length=57) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QWKVGDKCSAIWSEDGCIYPATIASIDFKRETCVVVYTGYGNREEQNLSD
LLSPICE
Ligand information
Ligand ID8AT
InChIInChI=1S/C11H12N2/c1-8-7-10(12)9-5-3-4-6-11(9)13(8)2/h3-7,12H,1-2H3/b12-10+
InChIKeyLUHYAOUKGPHLIP-ZRDIBKRKSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN1C(=CC(=N)c2ccccc12)C
OpenEye OEToolkits 2.0.7CC1=CC(=N)c2ccccc2N1C
OpenEye OEToolkits 2.0.7[H]/N=C/1\C=C(N(c2c1cccc2)C)C
FormulaC11 H12 N2
Name1,2-dimethylquinolin-4-imine
ChEMBL
DrugBank
ZINC
PDB chain7w30 Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7w30 A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		W102 Y109 Y130 N132
Binding residue
(residue number reindexed from 1)		W12 Y19 Y40 N42
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006397 mRNA processing
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7w30, PDBe:7w30, PDBj:7w30
PDBsum7w30
PubMed36114190
UniProtQ16637|SMN_HUMAN Survival motor neuron protein (Gene Name=SMN1)

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